Natural Product: NPC308197

Natural Product ID:  NPC308197
Common Name:   Zanthosimuline
IUPAC Name:   2,6-dimethyl-2-(4-methylpent-3-enyl)-3,4-dihydropyrano[3,2-c]quinolin-5-one
Synonyms:   Zanthosimuline
Molecular Formula:   C20H25NO2
Standard InCHIKey:  CHEBZMPFNARXFP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C20H25NO2/c1-14(2)8-7-12-20(3)13-11-16-18(23-20)15-9-5-6-10-17(15)21(4)19(16)22/h5-6,8-10H,7,11-13H2,1-4H3
Canonical SMILES:  CC(=CCCC1(C)CCc2c(O1)c1ccccc1n(c2=O)C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO26298 Zanthoxylum simulans Species Rutaceae Eukaryota PMID[7798955]
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TCMID*
NPO26298 Zanthoxylum simulans Species Rutaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified ED50 = 28.8 nM 7798955
NPT453 Cell Line HT-1080 Homo sapiens ED50 = 28.8 nM 7798955
NPT1034 Cell Line Lu1 Homo sapiens ED50 = 28.8 nM 7798955
NPT916 Cell Line SK-MEL Homo sapiens ED50 = 28.4 nM 7798955
NPT1851 Cell Line Col2 Homo sapiens ED50 = 30.4 nM 7798955
NPT91 Cell Line KB Homo sapiens ED50 = 15.2 nM 7798955
NPT2 Others Unspecified ED50 = 6.5 nM 7798955
NPT2 Others Unspecified ED50 = 21.3 nM 7798955
NPT168 Cell Line P388 Mus musculus ED50 = 5.2 nM 7798955
NPT762 Cell Line A-431 Homo sapiens ED50 = 28.8 nM 7798955
NPT858 Cell Line LNCaP Homo sapiens ED50 = 18.7 ug/ml 7798955
NPT133 Cell Line ZR-75-1 Homo sapiens ED50 = 10 ug/ml 7798955
NPT2 Others Unspecified ED50 = 17.1 ug/ml 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 9 % 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 78 % 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 93 % 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 95 % 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 98 % 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 0 % 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 15.4 % 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 8 % 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 3.5 % 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 24.3 % 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 7.4 % 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 5.5 % 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 4.5 % 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 14.5 % 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 6.5 % 7798955
NPT116 Cell Line HL-60 Homo sapiens Activity = 5 % 7798955

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC308197 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9638 High Similarity NPC242000
0.9173 High Similarity NPC231382
0.8731 High Similarity NPC250476
0.8581 High Similarity NPC307640
0.7799 Intermediate Similarity NPC299582
0.7658 Intermediate Similarity NPC301163
0.7633 Intermediate Similarity NPC262725
0.761 Intermediate Similarity NPC320064
0.75 Intermediate Similarity NPC93653
0.7471 Intermediate Similarity NPC471825
0.7436 Intermediate Similarity NPC144691
0.7417 Intermediate Similarity NPC315051
0.7383 Intermediate Similarity NPC173295
0.7333 Intermediate Similarity NPC469915
0.7329 Intermediate Similarity NPC122235
0.7305 Intermediate Similarity NPC291962
0.7305 Intermediate Similarity NPC177684
0.7267 Intermediate Similarity NPC322621
0.7262 Intermediate Similarity NPC129624
0.7254 Intermediate Similarity NPC258531
0.7254 Intermediate Similarity NPC112373
0.7254 Intermediate Similarity NPC161956
0.7203 Intermediate Similarity NPC257490
0.7168 Intermediate Similarity NPC49184
0.7159 Intermediate Similarity NPC1820
0.7143 Intermediate Similarity NPC96901
0.7118 Intermediate Similarity NPC186669
0.7117 Intermediate Similarity NPC471122
0.7114 Intermediate Similarity NPC314098
0.7108 Intermediate Similarity NPC214960
0.7108 Intermediate Similarity NPC279527
0.7102 Intermediate Similarity NPC473569
0.7099 Intermediate Similarity NPC29285
0.7091 Intermediate Similarity NPC313757
0.7076 Intermediate Similarity NPC321211
0.7055 Intermediate Similarity NPC123241
0.7055 Intermediate Similarity NPC113946
0.7048 Intermediate Similarity NPC471124
0.7041 Intermediate Similarity NPC73280
0.7035 Intermediate Similarity NPC85613
0.7035 Intermediate Similarity NPC5167
0.703 Intermediate Similarity NPC293458
0.7022 Intermediate Similarity NPC473004
0.7017 Intermediate Similarity NPC100863
0.7017 Intermediate Similarity NPC71124
0.7017 Intermediate Similarity NPC234933
0.6983 Remote Similarity NPC254957
0.6974 Remote Similarity NPC253476
0.6974 Remote Similarity NPC266425
0.6973 Remote Similarity NPC268077
0.697 Remote Similarity NPC27904
0.6966 Remote Similarity NPC22476
0.6939 Remote Similarity NPC226794
0.6928 Remote Similarity NPC476231
0.6928 Remote Similarity NPC472117
0.6919 Remote Similarity NPC207971
0.6919 Remote Similarity NPC41216
0.6918 Remote Similarity NPC39818
0.6918 Remote Similarity NPC146370
0.691 Remote Similarity NPC45389
0.6905 Remote Similarity NPC472114
0.6905 Remote Similarity NPC472115
0.6903 Remote Similarity NPC319645
0.6897 Remote Similarity NPC279385
0.6897 Remote Similarity NPC179605
0.6892 Remote Similarity NPC325013
0.6886 Remote Similarity NPC204867
0.6885 Remote Similarity NPC5374
0.6875 Remote Similarity NPC473007
0.6871 Remote Similarity NPC471132
0.6867 Remote Similarity NPC474058
0.6865 Remote Similarity NPC15987
0.6863 Remote Similarity NPC184437
0.686 Remote Similarity NPC475607
0.6859 Remote Similarity NPC472243
0.6859 Remote Similarity NPC242933
0.6849 Remote Similarity NPC103292
0.6848 Remote Similarity NPC61013
0.6845 Remote Similarity NPC471130
0.6845 Remote Similarity NPC477161
0.6842 Remote Similarity NPC214626
0.6842 Remote Similarity NPC251212
0.6842 Remote Similarity NPC139085
0.6826 Remote Similarity NPC176983
0.6826 Remote Similarity NPC88970
0.6821 Remote Similarity NPC474081
0.6818 Remote Similarity NPC97584
0.6807 Remote Similarity NPC193410
0.6802 Remote Similarity NPC475594
0.6802 Remote Similarity NPC470548
0.6795 Remote Similarity NPC469560
0.679 Remote Similarity NPC473329
0.6778 Remote Similarity NPC203628
0.6772 Remote Similarity NPC285192
0.677 Remote Similarity NPC254798
0.6766 Remote Similarity NPC248117
0.6766 Remote Similarity NPC315368
0.6765 Remote Similarity NPC223595
0.6765 Remote Similarity NPC167724
0.6765 Remote Similarity NPC224970
0.6763 Remote Similarity NPC264482
0.6763 Remote Similarity NPC203202
0.6758 Remote Similarity NPC198401
0.6758 Remote Similarity NPC230313
0.6757 Remote Similarity NPC67904
0.6757 Remote Similarity NPC138830
0.6755 Remote Similarity NPC81092
0.6755 Remote Similarity NPC103605
0.6746 Remote Similarity NPC472106
0.6744 Remote Similarity NPC276993
0.6744 Remote Similarity NPC181138
0.6744 Remote Similarity NPC293255
0.6744 Remote Similarity NPC210415
0.6744 Remote Similarity NPC298851
0.6744 Remote Similarity NPC21752
0.6742 Remote Similarity NPC291759
0.674 Remote Similarity NPC114039
0.674 Remote Similarity NPC206109
0.6727 Remote Similarity NPC161827
0.6726 Remote Similarity NPC286871
0.6726 Remote Similarity NPC472120
0.6726 Remote Similarity NPC472101
0.6722 Remote Similarity NPC473008
0.6722 Remote Similarity NPC5630
0.6712 Remote Similarity NPC226143
0.671 Remote Similarity NPC300299
0.6709 Remote Similarity NPC43477
0.6707 Remote Similarity NPC122106
0.6704 Remote Similarity NPC473815
0.6703 Remote Similarity NPC241263
0.6702 Remote Similarity NPC87714
0.6686 Remote Similarity NPC474041
0.6686 Remote Similarity NPC471648
0.6686 Remote Similarity NPC6974
0.6686 Remote Similarity NPC218594
0.6686 Remote Similarity NPC99043
0.6686 Remote Similarity NPC471604
0.6686 Remote Similarity NPC475761
0.6685 Remote Similarity NPC133591
0.6683 Remote Similarity NPC473449
0.6667 Remote Similarity NPC472241
0.6667 Remote Similarity NPC243626
0.6667 Remote Similarity NPC159963
0.6667 Remote Similarity NPC472244
0.6667 Remote Similarity NPC470343
0.6667 Remote Similarity NPC84347
0.6648 Remote Similarity NPC38823
0.6648 Remote Similarity NPC283810
0.6648 Remote Similarity NPC39822
0.6648 Remote Similarity NPC298320
0.6648 Remote Similarity NPC207033
0.6646 Remote Similarity NPC243756
0.6644 Remote Similarity NPC228515
0.6632 Remote Similarity NPC308943
0.663 Remote Similarity NPC303214
0.6629 Remote Similarity NPC260075
0.6611 Remote Similarity NPC21425
0.661 Remote Similarity NPC116096
0.6607 Remote Similarity NPC243673
0.6607 Remote Similarity NPC63210
0.6607 Remote Similarity NPC310403
0.6607 Remote Similarity NPC148468
0.6607 Remote Similarity NPC263709
0.6607 Remote Similarity NPC97380
0.6605 Remote Similarity NPC9373
0.6604 Remote Similarity NPC471164
0.6601 Remote Similarity NPC283079
0.6597 Remote Similarity NPC100573
0.6597 Remote Similarity NPC207873
0.6593 Remote Similarity NPC25401
0.6591 Remote Similarity NPC287152
0.6588 Remote Similarity NPC189116
0.6587 Remote Similarity NPC63370
0.6587 Remote Similarity NPC36836
0.6584 Remote Similarity NPC190945
0.6573 Remote Similarity NPC314659
0.657 Remote Similarity NPC470971
0.6568 Remote Similarity NPC472102
0.6568 Remote Similarity NPC143457
0.6568 Remote Similarity NPC309531
0.6561 Remote Similarity NPC295548
0.6557 Remote Similarity NPC204970
0.655 Remote Similarity NPC52059
0.655 Remote Similarity NPC470069
0.6548 Remote Similarity NPC77777
0.6548 Remote Similarity NPC248601
0.6545 Remote Similarity NPC198160
0.6543 Remote Similarity NPC232600
0.6543 Remote Similarity NPC472242
0.6541 Remote Similarity NPC472539
0.6541 Remote Similarity NPC470787
0.6541 Remote Similarity NPC472540
0.6538 Remote Similarity NPC471195
0.6538 Remote Similarity NPC474059
0.6538 Remote Similarity NPC471196
0.6538 Remote Similarity NPC105055
0.6538 Remote Similarity NPC22689
0.6536 Remote Similarity NPC150863
0.6534 Remote Similarity NPC28848
0.6534 Remote Similarity NPC127082

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC308197 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8112 Intermediate Similarity NPD2791 Discontinued
0.7852 Intermediate Similarity NPD4430 Phase 2
0.7764 Intermediate Similarity NPD5183 Approved
0.7764 Intermediate Similarity NPD5186 Approved
0.7635 Intermediate Similarity NPD2670 Approved
0.7625 Intermediate Similarity NPD3789 Approved
0.7582 Intermediate Similarity NPD3278 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD6533 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD6608 Clinical (unspecified phase)
0.7425 Intermediate Similarity NPD5521 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD3277 Phase 3
0.7381 Intermediate Similarity NPD5900 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD3793 Phase 3
0.7241 Intermediate Similarity NPD5620 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD4871 Phase 2
0.7237 Intermediate Similarity NPD3170 Approved
0.7215 Intermediate Similarity NPD2737 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD1802 Approved
0.7197 Intermediate Similarity NPD1801 Approved
0.7169 Intermediate Similarity NPD6457 Approved
0.7153 Intermediate Similarity NPD4775 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD7528 Approved
0.7143 Intermediate Similarity NPD5997 Discontinued
0.7111 Intermediate Similarity NPD1065 Approved
0.7111 Intermediate Similarity NPD1064 Approved
0.7059 Intermediate Similarity NPD5603 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD6740 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD5294 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD6320 Approved
0.7006 Intermediate Similarity NPD5823 Approved
0.6989 Remote Similarity NPD4515 Suspended
0.6987 Remote Similarity NPD6414 Clinical (unspecified phase)
0.6975 Remote Similarity NPD3229 Phase 2
0.6971 Remote Similarity NPD6021 Clinical (unspecified phase)
0.6943 Remote Similarity NPD2820 Phase 3
0.6937 Remote Similarity NPD2335 Discontinued
0.6936 Remote Similarity NPD6654 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5071 Phase 2
0.6919 Remote Similarity NPD7064 Clinical (unspecified phase)
0.691 Remote Similarity NPD5896 Clinical (unspecified phase)
0.6903 Remote Similarity NPD1109 Approved
0.6903 Remote Similarity NPD1110 Approved
0.6903 Remote Similarity NPD1626 Approved
0.6899 Remote Similarity NPD2387 Approved
0.6893 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6879 Remote Similarity NPD5181 Approved
0.6879 Remote Similarity NPD5180 Approved
0.6879 Remote Similarity NPD2365 Approved
0.6879 Remote Similarity NPD5179 Approved
0.6875 Remote Similarity NPD1668 Clinical (unspecified phase)
0.6868 Remote Similarity NPD5515 Phase 2
0.6839 Remote Similarity NPD743 Approved
0.6832 Remote Similarity NPD4888 Discontinued
0.6832 Remote Similarity NPD4161 Discontinued
0.6802 Remote Similarity NPD5919 Clinical (unspecified phase)
0.6802 Remote Similarity NPD6720 Clinical (unspecified phase)
0.6789 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6788 Remote Similarity NPD2836 Approved
0.6768 Remote Similarity NPD6357 Discontinued
0.6747 Remote Similarity NPD7735 Clinical (unspecified phase)
0.6733 Remote Similarity NPD552 Approved
0.6733 Remote Similarity NPD9567 Approved
0.6733 Remote Similarity NPD553 Approved
0.673 Remote Similarity NPD1625 Approved
0.6728 Remote Similarity NPD5941 Approved
0.6728 Remote Similarity NPD5942 Approved
0.6725 Remote Similarity NPD5847 Phase 1
0.6712 Remote Similarity NPD1306 Clinical (unspecified phase)
0.6709 Remote Similarity NPD7753 Approved
0.6709 Remote Similarity NPD7752 Approved
0.6708 Remote Similarity NPD3141 Discontinued
0.6707 Remote Similarity NPD3388 Phase 1
0.6705 Remote Similarity NPD7449 Clinical (unspecified phase)
0.6704 Remote Similarity NPD6891 Phase 2
0.6703 Remote Similarity NPD3297 Approved
0.6702 Remote Similarity NPD4997 Clinical (unspecified phase)
0.6691 Remote Similarity NPD708 Approved
0.6689 Remote Similarity NPD518 Clinical (unspecified phase)
0.6689 Remote Similarity NPD850 Approved
0.6689 Remote Similarity NPD848 Approved
0.6689 Remote Similarity NPD849 Approved
0.6688 Remote Similarity NPD2950 Approved
0.6688 Remote Similarity NPD2949 Approved
0.6687 Remote Similarity NPD7487 Discontinued
0.6687 Remote Similarity NPD4201 Clinical (unspecified phase)
0.6686 Remote Similarity NPD1309 Phase 2
0.6686 Remote Similarity NPD1165 Clinical (unspecified phase)
0.6686 Remote Similarity NPD1307 Phase 2
0.6685 Remote Similarity NPD5042 Phase 1
0.6667 Remote Similarity NPD6768 Approved
0.6667 Remote Similarity NPD7255 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7794 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5086 Approved
0.6647 Remote Similarity NPD5858 Discontinued
0.6646 Remote Similarity NPD1670 Discontinued
0.6646 Remote Similarity NPD6017 Discontinued
0.6631 Remote Similarity NPD6321 Discontinued
0.6629 Remote Similarity NPD5600 Discontinued
0.6629 Remote Similarity NPD3449 Discontinued
0.6625 Remote Similarity NPD5024 Approved
0.6624 Remote Similarity NPD6636 Phase 3
0.6623 Remote Similarity NPD1920 Approved
0.6623 Remote Similarity NPD1919 Approved
0.6614 Remote Similarity NPD3298 Approved
0.6612 Remote Similarity NPD4539 Phase 1
0.6607 Remote Similarity NPD2842 Clinical (unspecified phase)
0.6605 Remote Similarity NPD4041 Approved
0.6605 Remote Similarity NPD1305 Clinical (unspecified phase)
0.6601 Remote Similarity NPD5131 Approved
0.6593 Remote Similarity NPD6659 Phase 2
0.6587 Remote Similarity NPD6570 Approved
0.6587 Remote Similarity NPD6571 Approved
0.6584 Remote Similarity NPD2435 Approved
0.6584 Remote Similarity NPD5918 Discontinued
0.6579 Remote Similarity NPD5993 Phase 1
0.6571 Remote Similarity NPD6645 Clinical (unspecified phase)
0.6568 Remote Similarity NPD7244 Discontinued
0.6564 Remote Similarity NPD7478 Approved
0.6562 Remote Similarity NPD1189 Approved
0.6558 Remote Similarity NPD486 Clinical (unspecified phase)
0.6557 Remote Similarity NPD7570 Approved
0.6557 Remote Similarity NPD7569 Approved
0.6554 Remote Similarity NPD6293 Clinical (unspecified phase)
0.6554 Remote Similarity NPD6878 Phase 2
0.6554 Remote Similarity NPD6211 Clinical (unspecified phase)
0.6554 Remote Similarity NPD6879 Phase 2
0.6549 Remote Similarity NPD2201 Approved
0.6546 Remote Similarity NPD7225 Discontinued
0.6543 Remote Similarity NPD3301 Approved
0.6543 Remote Similarity NPD6238 Discontinued
0.6541 Remote Similarity NPD3964 Approved
0.6538 Remote Similarity NPD5114 Approved
0.6538 Remote Similarity NPD5185 Approved
0.6538 Remote Similarity NPD5112 Approved
0.6538 Remote Similarity NPD5184 Approved
0.6538 Remote Similarity NPD5182 Approved
0.6538 Remote Similarity NPD5928 Phase 1
0.6538 Remote Similarity NPD5113 Approved
0.6536 Remote Similarity NPD5923 Phase 1
0.6534 Remote Similarity NPD5334 Clinical (unspecified phase)
0.6533 Remote Similarity NPD1360 Approved
0.6528 Remote Similarity NPD1175 Approved
0.6527 Remote Similarity NPD1337 Clinical (unspecified phase)
0.6524 Remote Similarity NPD4644 Clinical (unspecified phase)
0.6522 Remote Similarity NPD7082 Approved
0.6519 Remote Similarity NPD4084 Clinical (unspecified phase)
0.6519 Remote Similarity NPD6483 Approved
0.6519 Remote Similarity NPD6484 Approved
0.6514 Remote Similarity NPD5466 Approved
0.651 Remote Similarity NPD8027 Approved
0.6509 Remote Similarity NPD7114 Clinical (unspecified phase)
0.6508 Remote Similarity NPD6795 Clinical (unspecified phase)
0.6506 Remote Similarity NPD3399 Approved
0.6506 Remote Similarity NPD814 Clinical (unspecified phase)
0.6503 Remote Similarity NPD5994 Discontinued
0.65 Remote Similarity NPD3434 Clinical (unspecified phase)
0.6491 Remote Similarity NPD8007 Approved
0.6491 Remote Similarity NPD8008 Approved
0.649 Remote Similarity NPD1640 Clinical (unspecified phase)
0.6484 Remote Similarity NPD4334 Discontinued
0.6481 Remote Similarity NPD7259 Approved
0.6479 Remote Similarity NPD5239 Approved
0.6479 Remote Similarity NPD5235 Approved
0.6479 Remote Similarity NPD5236 Approved
0.6479 Remote Similarity NPD5240 Approved
0.6479 Remote Similarity NPD5237 Approved
0.6474 Remote Similarity NPD2249 Approved
0.6474 Remote Similarity NPD441 Approved
0.6474 Remote Similarity NPD2247 Approved
0.6474 Remote Similarity NPD6478 Clinical (unspecified phase)
0.6474 Remote Similarity NPD3802 Phase 3
0.6474 Remote Similarity NPD7126 Discontinued
0.6471 Remote Similarity NPD2506 Approved
0.6471 Remote Similarity NPD7600 Phase 2
0.6471 Remote Similarity NPD2146 Clinical (unspecified phase)
0.6471 Remote Similarity NPD1012 Discontinued
0.6464 Remote Similarity NPD5444 Phase 1
0.646 Remote Similarity NPD4597 Approved
0.646 Remote Similarity NPD6566 Discontinued
0.646 Remote Similarity NPD4598 Approved
0.646 Remote Similarity NPD2923 Approved
0.6453 Remote Similarity NPD7036 Phase 3
0.6453 Remote Similarity NPD7035 Approved
0.645 Remote Similarity NPD1769 Discontinued
0.645 Remote Similarity NPD5715 Clinical (unspecified phase)
0.6447 Remote Similarity NPD5136 Clinical (unspecified phase)
0.6447 Remote Similarity NPD5667 Approved
0.6446 Remote Similarity NPD7606 Phase 3
0.6442 Remote Similarity NPD7295 Approved
0.6442 Remote Similarity NPD6185 Discontinued
0.6433 Remote Similarity NPD3140 Approved
0.6433 Remote Similarity NPD3142 Approved
0.6424 Remote Similarity NPD4682 Phase 2
0.6424 Remote Similarity NPD4432 Discontinued
0.6421 Remote Similarity NPD7316 Discontinued
0.642 Remote Similarity NPD6301 Phase 2
0.6417 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6412 Remote Similarity NPD4393 Approved
0.6412 Remote Similarity NPD33 Approved

Structure

External Identifiers

PubChem CID   44559726
ChEMBL   CHEMBL512156
ZINC  

Physicochemical Properties

Molecular Weight:  311.19
ALogP:  1.6788
MLogP:  3.33
XLogP:  4.976
# Rotatable Bonds:  7
Polar Surface Area:  29.54
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  23

Download Data

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